Monomers
Acrylic acid 4-acetylphenyl ester
Identifiers
IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
-4.9717 0.0159 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2717 -0.4730 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8189 -0.5300 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1233 -1.0049 -1.6671 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1127 -0.0748 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 -0.1559 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0166 -1.2258 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3638 -1.2464 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0370 -0.1355 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3204 0.9287 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0384 0.9293 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4895 -0.1160 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1340 -1.1129 0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1989 1.0585 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0696 0.0662 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 0.3842 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7366 -0.8475 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 -2.0686 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8969 -2.1009 1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8394 1.8069 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5616 1.8061 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0473 1.9681 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8883 1.2389 -1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2932 0.8893 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 2 0
12 14 1 0
11 6 1 0
1 15 1 0
1 16 1 0
2 17 1 0
7 18 1 0
8 19 1 0
10 20 1 0
11 21 1 0
14 22 1 0
14 23 1 0
14 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers